resemble is an R package which implements functions dedicated to non-linear modelling of complex spectroscopy data

An apple classification binary problem

Functions to analyse mid infrared spectra of peat samples

Reproducible Research Compendium for "Improving Models to Predict Holocellulose and Klason Lignin Contents for Peat Soil Organic Matter with Mid-Infrared Spectra" and "The need to reinterpret Hodgkins et al. (2018)".

We propose a particle MCMC sampler to learn the kinetic parameters of a chemical system, specifically the adsorption and desorption of CO on Pd(111).

Infrared spectroscopy tutorial and reference (original version created by Prof. Charles Abrams using Macromedia Director)

Spectral Nexus is a web application for data analysis, spectra classification and visualization.

SpecXY is a user-friendly software solution for preparing, editing, extracting and comparing (spatially resolved) spectral datasets

Feature selection method for spectroscopy dataset